5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid

C22H24N2O3 — CID 2814972

IUPAC5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C22H24N2O3/c25-20(10-5-11-21(26)27)23-12-14-24(15-13-23)22-18-8-3-1-6-16(18)17-7-2-4-9-19(17)22/h1-4,6-9,22H,5,10-15H2,(H,26,27)
InChIKeyVIIRHTGKVJKIII-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.16
Rot. Bonds5

About 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid

5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid (PubChem CID 2814972) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid
PubChem CID2814972
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C22H24N2O3/c25-20(10-5-11-21(26)27)23-12-14-24(15-13-23)22-18-8-3-1-6-16(18)17-7-2-4-9-19(17)22/h1-4,6-9,22H,5,10-15H2,(H,26,27)
InChIKeyVIIRHTGKVJKIII-UHFFFAOYSA-N
XLogP3.16
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid (CID 2814972) is 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid is O=C(O)CCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid?
The InChIKey is VIIRHTGKVJKIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-20(10-5-11-21(26)27)23-12-14-24(15-13-23)22-18-8-3-1-6-16(18)17-7-2-4-9-19(17)22/h1-4,6-9,22H,5,10-15H2,(H,26,27).
What are the key properties of 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid?
5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid has a molecular weight of 364.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 2814972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).